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@ -174,7 +174,7 @@ created from `FORCES_FC2` and `phono3py_disp.yaml` instead of `FORCES_FC3` and
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% phono3py --cfs --dim-fc2="x x x"
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```
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## Supercell and primitive cell
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## Supercell, primitive cell, masses, magnetic moments
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(dim_option)=
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@ -237,6 +237,16 @@ http://phonopy.github.io/phonopy/setting-tags.html#primitive-axis. When a proper
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`phono3py_disp.yaml` exists in the current directory, this is unnecessary to be
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specified.
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### `--mass` (`MASS`)
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Atomic masses of **primitive cell** are overwritten. See more details in
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[phonopy web page](https://phonopy.github.io/phonopy/setting-tags.html#mass).
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### `--magmom` (`MAGMOM`)
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Magnetic moments of **unit cell** are specified. This information is used to find crystal symmetry. See more details in [phonopy
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web page](https://phonopy.github.io/phonopy/setting-tags.html#magmom).
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## Displacement creation
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(create_displacements_option)=
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@ -627,7 +637,6 @@ option works only when `--br` options are activated. Therefore third-order force
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constants are not necessary to input. The physical unit of the value is
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$\text{eV}^2$. See also references {cite}`Togo-PRB-2015,Mizokami-PRB-2018`.
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```bash
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% phono3py --dim="3 3 2" -v --mesh="32 32 20" -c POSCAR-unitcell --br --const-ave-pp=1e-10
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```
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@ -908,12 +917,10 @@ file, where $A_{\mathrm{q}j}$ is normalied as given above, i.e., numerical
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sum of stored value for each band should become roughly 1.
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```
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(jdos_option)=
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## Joint density of states (JDOS) and weighted-JDOS
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### `--jdos` (`JOINT_DOS = .TRUE.`)
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Two classes of joint density of states (JDOS) are calculated. The result is
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@ -1240,8 +1247,8 @@ This modifies default input and output file names.
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This is equivalent to setting `-i` and `-o` simultaneously.
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## References
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```{bibliography}
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:filter: docname in docnames
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```
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